(2S)-N-Cyclopropyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide
(2S)-N-Cyclopropyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide Structure
Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-7-[(3-Fluorophenyl)carbamoylamino]-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-cyclopropylpropanamide
ID: Reference9618
Other Names:
2-Naphthaleneacetamide, N-cyclopropyl-7-[[[(3-fluorophenyl)amino]carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-, (alphas,1S,7S,8S,8aS)-;
NAT5-398349
Formula: C25H36FN3O3
Spectral Data
(2S)-N-Cyclopropyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1387 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/24/2020 6:35:21 AM |
Identificators
| InChI | InChI=1S/C25H36FN3O3/c1-14(23(31)27-17-7-8-17)19-9-11-25(3)12-10-20(15(2)21(25)22(19)30)29-24(32)28-18-6-4-5-16(26)13-18/h4-6,13-15,17,19-22,30H,7-12H2,1-3H3,(H,27,31)(H2,28,29,32)/t14-,15+,19?,20-,21+,22-,25-/m0/s1 |
| InChI Key | SRFOQZUHHOLZKN-HJBJOOPUSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC3CC3)O)C)NC(=O)NC4=CC(=CC=C4)F |
| CAS | |
| Splash | |
| Other Names |
2-Naphthaleneacetamide, N-cyclopropyl-7-[[[(3-fluorophenyl)amino]carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-, (alphas,1S,7S,8S,8aS)-; NAT5-398349 |